期刊
JOURNAL OF CHEMICAL PHYSICS
卷 132, 期 22, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3437609
关键词
-
资金
- U.S. Department of Energy
- DuPont Corporation
- Camille & Henry Dreyfus Foundation
We show that there is a family of adsorbate-substrate systems that do not follow the trends in adsorption energies predicted by the d-band model. A physically transparent model is used to analyze this phenomenon. We found that these adsorbate-substrate pairs are characterized by the repulsive interaction of the substrate d-band with the renormalized adsorbate states. The exceptions to the d-band model are mainly associated with the adsorbates having almost completely filled valence shell, and the substrates with nearly fully occupied d-band, e.g., OH, F, or Cl adsorption on metals and alloys characterized by d(9) or d(10) substrate surface atoms. (C) 2010 American Institute of Physics. [doi:10.1063/1.3437609]
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据